| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561894 | Computational Materials Science | 2012 | 7 Pages |
Abstract
⺠Five classical atomistic water models were compared for C-S-H modeling. ⺠The X-ray spectra and anisotropic mobility varied significantly with water models. ⺠Choice of water model depended on desired accuracy level for a specific property. ⺠SPC and TIP5P models most accurately predicted key properties of C-S-H.
Keywords
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Qing Ji, Roland J.-M. Pellenq, Krystyn J. Van Vliet,